Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"

    save_chemical_shift_assignment_data_set_one
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 'chemical_shift_assignment_data_set_one'
   _Assigned_chem_shift_list.Entry_ID                      298
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      . . 1 $sample_one . 298 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 1 1  1  1 GLY HA2  H 1  4.06 . . 1 . . . . . . . . 298 1 
        2 . 1 1  1  1 GLY HA3  H 1  4.06 . . 1 . . . . . . . . 298 1 
        3 . 1 1  2  2 ASN H    H 1  8.73 . . 1 . . . . . . . . 298 1 
        4 . 1 1  2  2 ASN HA   H 1  4.88 . . 1 . . . . . . . . 298 1 
        5 . 1 1  2  2 ASN HB2  H 1  2.85 . . 2 . . . . . . . . 298 1 
        6 . 1 1  2  2 ASN HB3  H 1  2.76 . . 2 . . . . . . . . 298 1 
        7 . 1 1  3  3 THR H    H 1  8.3  . . 1 . . . . . . . . 298 1 
        8 . 1 1  3  3 THR HA   H 1  4.31 . . 1 . . . . . . . . 298 1 
        9 . 1 1  3  3 THR HB   H 1  4.14 . . 1 . . . . . . . . 298 1 
       10 . 1 1  3  3 THR HG21 H 1  1.17 . . 1 . . . . . . . . 298 1 
       11 . 1 1  3  3 THR HG22 H 1  1.17 . . 1 . . . . . . . . 298 1 
       12 . 1 1  3  3 THR HG23 H 1  1.17 . . 1 . . . . . . . . 298 1 
       13 . 1 1  4  4 LEU H    H 1  8.17 . . 1 . . . . . . . . 298 1 
       14 . 1 1  4  4 LEU HA   H 1  4.53 . . 1 . . . . . . . . 298 1 
       15 . 1 1  4  4 LEU HB2  H 1  1.63 . . 1 . . . . . . . . 298 1 
       16 . 1 1  4  4 LEU HB3  H 1  1.63 . . 1 . . . . . . . . 298 1 
       17 . 1 1  5  5 SER HA   H 1  4.7  . . 1 . . . . . . . . 298 1 
       18 . 1 1  5  5 SER HB2  H 1  3.87 . . 1 . . . . . . . . 298 1 
       19 . 1 1  5  5 SER HB3  H 1  3.87 . . 1 . . . . . . . . 298 1 
       20 . 1 1  6  6 GLY HA2  H 1  3.88 . . 2 . . . . . . . . 298 1 
       21 . 1 1  6  6 GLY HA3  H 1  4.65 . . 2 . . . . . . . . 298 1 
       22 . 1 1  7  7 THR HA   H 1  4.69 . . 1 . . . . . . . . 298 1 
       23 . 1 1  7  7 THR HB   H 1  3.86 . . 1 . . . . . . . . 298 1 
       24 . 1 1  7  7 THR HG21 H 1   .35 . . 1 . . . . . . . . 298 1 
       25 . 1 1  7  7 THR HG22 H 1   .35 . . 1 . . . . . . . . 298 1 
       26 . 1 1  7  7 THR HG23 H 1   .35 . . 1 . . . . . . . . 298 1 
       27 . 1 1  8  8 LEU H    H 1  8.55 . . 1 . . . . . . . . 298 1 
       28 . 1 1  8  8 LEU HA   H 1  4.96 . . 1 . . . . . . . . 298 1 
       29 . 1 1  8  8 LEU HB2  H 1  1.59 . . 1 . . . . . . . . 298 1 
       30 . 1 1  8  8 LEU HB3  H 1  1.59 . . 1 . . . . . . . . 298 1 
       31 . 1 1  9  9 TRP H    H 1  9.68 . . 1 . . . . . . . . 298 1 
       32 . 1 1  9  9 TRP HA   H 1  4.59 . . 1 . . . . . . . . 298 1 
       33 . 1 1  9  9 TRP HB2  H 1  2.94 . . 1 . . . . . . . . 298 1 
       34 . 1 1  9  9 TRP HB3  H 1  2.94 . . 1 . . . . . . . . 298 1 
       35 . 1 1  9  9 TRP HD1  H 1  6.6  . . 1 . . . . . . . . 298 1 
       36 . 1 1  9  9 TRP HE3  H 1  7.26 . . 1 . . . . . . . . 298 1 
       37 . 1 1  9  9 TRP HZ2  H 1  6.66 . . 1 . . . . . . . . 298 1 
       38 . 1 1  9  9 TRP HZ3  H 1  7.05 . . 1 . . . . . . . . 298 1 
       39 . 1 1  9  9 TRP HH2  H 1  7.05 . . 1 . . . . . . . . 298 1 
       40 . 1 1 10 10 LEU H    H 1  8.78 . . 1 . . . . . . . . 298 1 
       41 . 1 1 10 10 LEU HA   H 1  4.59 . . 1 . . . . . . . . 298 1 
       42 . 1 1 10 10 LEU HB2  H 1  1.59 . . 1 . . . . . . . . 298 1 
       43 . 1 1 10 10 LEU HB3  H 1  1.59 . . 1 . . . . . . . . 298 1 
       44 . 1 1 11 11 TYR HA   H 1  4.99 . . 1 . . . . . . . . 298 1 
       45 . 1 1 11 11 TYR HB2  H 1  3.09 . . 1 . . . . . . . . 298 1 
       46 . 1 1 11 11 TYR HB3  H 1  3.09 . . 1 . . . . . . . . 298 1 
       47 . 1 1 11 11 TYR HD1  H 1  7.17 . . 1 . . . . . . . . 298 1 
       48 . 1 1 11 11 TYR HD2  H 1  7.17 . . 1 . . . . . . . . 298 1 
       49 . 1 1 11 11 TYR HE1  H 1  6.74 . . 1 . . . . . . . . 298 1 
       50 . 1 1 11 11 TYR HE2  H 1  6.74 . . 1 . . . . . . . . 298 1 
       51 . 1 1 12 12 PRO HA   H 1  4.59 . . 1 . . . . . . . . 298 1 
       52 . 1 1 12 12 PRO HB2  H 1  2.07 . . 2 . . . . . . . . 298 1 
       53 . 1 1 12 12 PRO HB3  H 1  2.44 . . 2 . . . . . . . . 298 1 
       54 . 1 1 13 13 SER H    H 1  7.76 . . 1 . . . . . . . . 298 1 
       55 . 1 1 13 13 SER HA   H 1  4.33 . . 1 . . . . . . . . 298 1 
       56 . 1 1 14 14 GLY H    H 1  6.93 . . 1 . . . . . . . . 298 1 
       57 . 1 1 14 14 GLY HA2  H 1  1.23 . . 2 . . . . . . . . 298 1 
       58 . 1 1 14 14 GLY HA3  H 1  3.47 . . 2 . . . . . . . . 298 1 
       59 . 1 1 15 15 CYS H    H 1  7.89 . . 1 . . . . . . . . 298 1 
       60 . 1 1 15 15 CYS HA   H 1  4.07 . . 1 . . . . . . . . 298 1 
       61 . 1 1 15 15 CYS HB2  H 1  2.48 . . 1 . . . . . . . . 298 1 
       62 . 1 1 15 15 CYS HB3  H 1  2.48 . . 1 . . . . . . . . 298 1 
       63 . 1 1 16 16 PRO HA   H 1  4.08 . . 1 . . . . . . . . 298 1 
       64 . 1 1 16 16 PRO HB2  H 1  1.45 . . 1 . . . . . . . . 298 1 
       65 . 1 1 16 16 PRO HB3  H 1  1.45 . . 1 . . . . . . . . 298 1 
       66 . 1 1 17 17 SER HB2  H 1  3.75 . . 2 . . . . . . . . 298 1 
       67 . 1 1 17 17 SER HB3  H 1  4.12 . . 2 . . . . . . . . 298 1 
       68 . 1 1 18 18 GLY H    H 1  8.9  . . 1 . . . . . . . . 298 1 
       69 . 1 1 18 18 GLY HA2  H 1  4.36 . . 1 . . . . . . . . 298 1 
       70 . 1 1 18 18 GLY HA3  H 1  4.36 . . 1 . . . . . . . . 298 1 
       71 . 1 1 19 19 TRP HA   H 1  4.72 . . 1 . . . . . . . . 298 1 
       72 . 1 1 19 19 TRP HB2  H 1  3.12 . . 1 . . . . . . . . 298 1 
       73 . 1 1 19 19 TRP HB3  H 1  3.12 . . 1 . . . . . . . . 298 1 
       74 . 1 1 19 19 TRP HD1  H 1  6.94 . . 1 . . . . . . . . 298 1 
       75 . 1 1 19 19 TRP HE1  H 1 10.39 . . 1 . . . . . . . . 298 1 
       76 . 1 1 19 19 TRP HE3  H 1  7.22 . . 1 . . . . . . . . 298 1 
       77 . 1 1 19 19 TRP HZ2  H 1  7.8  . . 1 . . . . . . . . 298 1 
       78 . 1 1 19 19 TRP HZ3  H 1  7.52 . . 1 . . . . . . . . 298 1 
       79 . 1 1 19 19 TRP HH2  H 1  7.46 . . 1 . . . . . . . . 298 1 
       80 . 1 1 20 20 HIS H    H 1  9.21 . . 1 . . . . . . . . 298 1 
       81 . 1 1 20 20 HIS HA   H 1  5.15 . . 1 . . . . . . . . 298 1 
       82 . 1 1 20 20 HIS HE1  H 1  8.46 . . 1 . . . . . . . . 298 1 
       83 . 1 1 21 21 ASN H    H 1  9.23 . . 1 . . . . . . . . 298 1 
       84 . 1 1 21 21 ASN HA   H 1  4.86 . . 1 . . . . . . . . 298 1 
       85 . 1 1 21 21 ASN HB2  H 1  3.12 . . 1 . . . . . . . . 298 1 
       86 . 1 1 21 21 ASN HB3  H 1  3.12 . . 1 . . . . . . . . 298 1 
       87 . 1 1 22 22 CYS H    H 1  9.64 . . 1 . . . . . . . . 298 1 
       88 . 1 1 22 22 CYS HA   H 1  5.49 . . 1 . . . . . . . . 298 1 
       89 . 1 1 23 23 LYS HA   H 1  4.83 . . 1 . . . . . . . . 298 1 
       90 . 1 1 23 23 LYS HB2  H 1  1.63 . . 2 . . . . . . . . 298 1 
       91 . 1 1 23 23 LYS HB3  H 1  2.03 . . 2 . . . . . . . . 298 1 
       92 . 1 1 24 24 ALA H    H 1  9.83 . . 1 . . . . . . . . 298 1 
       93 . 1 1 24 24 ALA HA   H 1  4.08 . . 1 . . . . . . . . 298 1 
       94 . 1 1 24 24 ALA HB1  H 1  1.32 . . 1 . . . . . . . . 298 1 
       95 . 1 1 24 24 ALA HB2  H 1  1.32 . . 1 . . . . . . . . 298 1 
       96 . 1 1 24 24 ALA HB3  H 1  1.32 . . 1 . . . . . . . . 298 1 
       97 . 1 1 25 25 HIS HA   H 1  4.85 . . 1 . . . . . . . . 298 1 
       98 . 1 1 25 25 HIS HB2  H 1  3.04 . . 1 . . . . . . . . 298 1 
       99 . 1 1 25 25 HIS HB3  H 1  3.04 . . 1 . . . . . . . . 298 1 
      100 . 1 1 25 25 HIS HD2  H 1  7.32 . . 1 . . . . . . . . 298 1 
      101 . 1 1 25 25 HIS HE1  H 1  8.63 . . 1 . . . . . . . . 298 1 
      102 . 1 1 26 26 GLY HA2  H 1  3.44 . . 2 . . . . . . . . 298 1 
      103 . 1 1 26 26 GLY HA3  H 1  4.15 . . 2 . . . . . . . . 298 1 
      104 . 1 1 28 28 THR H    H 1  8.23 . . 1 . . . . . . . . 298 1 
      105 . 1 1 28 28 THR HA   H 1  3.84 . . 1 . . . . . . . . 298 1 
      106 . 1 1 28 28 THR HG21 H 1  1.21 . . 1 . . . . . . . . 298 1 
      107 . 1 1 28 28 THR HG22 H 1  1.21 . . 1 . . . . . . . . 298 1 
      108 . 1 1 28 28 THR HG23 H 1  1.21 . . 1 . . . . . . . . 298 1 
      109 . 1 1 29 29 ILE H    H 1  7.27 . . 1 . . . . . . . . 298 1 
      110 . 1 1 29 29 ILE HA   H 1  4.07 . . 1 . . . . . . . . 298 1 
      111 . 1 1 30 30 GLY HA2  H 1  3.53 . . 2 . . . . . . . . 298 1 
      112 . 1 1 30 30 GLY HA3  H 1  3.85 . . 2 . . . . . . . . 298 1 
      113 . 1 1 31 31 TRP HA   H 1  4.79 . . 1 . . . . . . . . 298 1 
      114 . 1 1 31 31 TRP HB2  H 1  2.79 . . 1 . . . . . . . . 298 1 
      115 . 1 1 31 31 TRP HB3  H 1  2.79 . . 1 . . . . . . . . 298 1 
      116 . 1 1 31 31 TRP HD1  H 1  7.18 . . 1 . . . . . . . . 298 1 
      117 . 1 1 31 31 TRP HE1  H 1  9.23 . . 1 . . . . . . . . 298 1 
      118 . 1 1 31 31 TRP HE3  H 1  7.8  . . 1 . . . . . . . . 298 1 
      119 . 1 1 31 31 TRP HZ3  H 1  7.14 . . 1 . . . . . . . . 298 1 
      120 . 1 1 32 32 CYS H    H 1 10.71 . . 1 . . . . . . . . 298 1 
      121 . 1 1 32 32 CYS HA   H 1  5.25 . . 1 . . . . . . . . 298 1 
      122 . 1 1 32 32 CYS HB2  H 1  3.13 . . 1 . . . . . . . . 298 1 
      123 . 1 1 32 32 CYS HB3  H 1  3.13 . . 1 . . . . . . . . 298 1 
      124 . 1 1 33 33 CYS H    H 1  8.93 . . 1 . . . . . . . . 298 1 
      125 . 1 1 33 33 CYS HA   H 1  5.92 . . 1 . . . . . . . . 298 1 
      126 . 1 1 34 34 LYS H    H 1  9.47 . . 1 . . . . . . . . 298 1 
      127 . 1 1 34 34 LYS HA   H 1  5.18 . . 1 . . . . . . . . 298 1 
      128 . 1 1 35 35 GLN H    H 1  8.17 . . 1 . . . . . . . . 298 1 
      129 . 1 1 35 35 GLN HA   H 1  4.02 . . 1 . . . . . . . . 298 1 

   stop_

save_